Venue: Biomedicum 1, Meeting room 8-9, P-floor

Timing: 15:30 onwards

Presenter: Balaguru Ravikumar, PhD student

C-SPADE: a web-tool for interactive analysis and visualization of drug screening experiments through compound-specific bioactivity dendrograms

A necessary functionality performed by every chemical biologist is to analysis the similarity or diversity of the drug molecules, prior to their screening experiments. Owing to the wide variety of methods, chemical biologist currently require the aid of a chemoinformatician to perform such analysis. Toward that end, we introduce C-SPADE, an open-source exploratory web-tool for interactive analysis and visualization of drug profiling assays (biochemical, cell-based or cell-free) using compound-centric similarity clustering. C-SPADE, in real-time, allows the users to visually map the chemical diversity of a screening panel, explore investigational compounds in terms of their similarity to the screening panel, perform polypharmacological analyses and guide drug-target interaction predictions. C-SPADE provides an intuitive representation of the chemical space by capturing and visualizing underlying patterns of compound similarities linked to their polypharmacological effects, thereby reducing the time required for manual analysis in drug development or repurposing applications. The web-tool provides a customizable visual workspace that can either be downloaded as figure or Newick tree file or shared as a hyperlink with other users.

C-SPADE is freely available at http://cspade.fimm.fi/.

In this I talk I will briefly take you through C-SPADE and its functionality, providing a demo of its usability with a case study.

For more reading:

https://academic.oup.com/nar/article-lookup/doi/10.1093/nar/gkx384